UniProt P00811
Beta-lactamase (P00811)
Beta-lactamase (UniProt P00811), EC 3.5.2.6: 209 experimental structures and 3 predicted models on GenesisL1, 16 ligands bound, 21 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P00811
- Protein
- Beta-lactamase
- EC
- 3.5.2.6
- Experimental structures
- 209
- Predicted models
- 3
- Ligands
- 16
- Pockets
- 21 · 3 records with a druggable one
Structures
212 records of P00811 in the MolNFT archive: 209 experimental, 3 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1C3B | Ampc beta-lactamase from E. COLI complexed with inhibitor, BENZO(B)THIOPHENE-2-boronic acid (bzb) | x-ray diffraction | A, B | — | — |
| 1C3B | Ampc beta-lactamase from E. COLI complexed with inhibitor, BENZO(B) thiophene-2-boronic acid (bzb) | x-ray diffraction | A, B | — | — |
| 1FCM | Crystal structure of the E.COLI ampc beta-lactamase mutant Q120L/Y150E covalently acylated with the… | x-ray diffraction | A, B | — | — |
| 1FCM | Crystal structure of the E.COLI ampc beta-lactamase mutant Q120L/Y150E covalently acylated with the… | x-ray diffraction | A, B | — | — |
| 1FCN | Crystal Structure of the E. Coli AMPC Beta-Lactamase Mutant Q120L/Y150E Covalently Acylated with… | x-ray diffraction | A, B | — | — |
| 1FCN | Crystal structure of the E. COLI ampc beta-lactamase mutant Q120L/Y150E covalently acylated with… | x-ray diffraction | A, B | — | — |
| 1FCO | Crystal structure of the E. COLI ampc beta-lactamase covalently acylated with the inhibitory… | x-ray diffraction | A, B | — | — |
| 1FCO | Crystal structure of the E. COLI ampc beta-lactamase covalently acylated with the inhibitory… | x-ray diffraction | A, B | — | — |
| 1FSW | Ampc beta-lactamase from E. COLI complexed with inhibitor cephalothinboronic acid | x-ray diffraction | A, B | — | — |
| 1FSW | Ampc beta-lactamase from E. COLI complexed with inhibitor cephalothinboronic acid | x-ray diffraction | A, B | — | — |
| 1FSY | Ampc beta-lactamase from E. COLI complexed with inhibitor cloxacillinboronic acid | x-ray diffraction | A, B | — | — |
| 1FSY | Ampc beta-lactamase from E. COLI complexed with inhibitor cloxacillinboronic acid | x-ray diffraction | A, B | — | — |
| 1GA9 | Crystal structure of ampc beta-lactamase from E. COLI complexed with non-beta-lactamase inhibitor… | x-ray diffraction | A, B | — | — |
| 1GA9 | Crystal structure of ampc beta-lactamase from E. COLI complexed with non-beta-lactamase inhibitor… | x-ray diffraction | A, B | — | — |
| 1I5Q | Crystal structure of the E. COLI ampc beta-lactamase mutant N152A covalently acylated with the… | x-ray diffraction | A, B | — | — |
| 1I5Q | Crystal structure of the E. COLI ampc beta-lactamase mutant N152A covalently acylated with the… | x-ray diffraction | A, B | — | — |
| 1IEL | Crystal Structure of AmpC beta-lactamase from E. coli in Complex with Ceftazidime | x-ray diffraction | A, B | — | — |
| 1IEL | Crystal structure of ampc beta-lactamase from E. COLI in complex with ceftazidime | x-ray diffraction | A, B | — | — |
| 1IEM | Crystal Structure of AmpC beta-lactamase from E. coli in Complex with a Boronic Acid Inhibitor (1… | x-ray diffraction | A, B | — | — |
| 1IEM | Crystal structure of ampc beta-lactamase from E. COLI in complex with a boronic acid inhibitor (1… | x-ray diffraction | A, B | — | — |
| 1KDS | X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with the inhibitor… | x-ray diffraction | A, B | — | — |
| 1KDS | X-ray crystal structure of ampc beta-lactamase from E. COLI in complex with the inhibitor… | x-ray diffraction | A, B | — | — |
| 1KDW | X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with the inhibitor… | x-ray diffraction | A, B | — | — |
| 1KDW | X-ray crystal structure of ampc beta-lactamase from E. COLI in complex with the inhibitor… | x-ray diffraction | A, B | — | — |
| 1KE0 | X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with the inhibitor… | x-ray diffraction | A, B | — | — |
| 1KE0 | X-ray crystal structure of ampc beta-lactamase from E. COLI in complex with the inhibitor… | x-ray diffraction | A, B | — | — |
| 1KE3 | X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with the inhibitor… | x-ray diffraction | A, B | — | — |
| 1KE3 | X-ray crystal structure of ampc beta-lactamase from E. COLI in complex with the inhibitor… | x-ray diffraction | A, B | — | — |
| 1KE4 | X-ray crystal structure of AmpC beta-lactamase from E. coli | x-ray diffraction | A, B | — | — |
| 1KE4 | X-ray crystal structure of ampc beta-lactamase from E. COLI | x-ray diffraction | A, B | — | — |
| 1KVL | X-ray Crystal Structure of AmpC S64G Mutant beta-Lactamase in Complex with Substrate and Product… | x-ray diffraction | A, B | — | — |
| 1KVL | X-ray crystal structure of ampc S64G mutant beta-lactamase in complex with substrate and product… | x-ray diffraction | A, B | — | — |
| 1KVM | X-ray Crystal Structure of AmpC WT beta-Lactamase in Complex with Covalently Bound Cephalothin | x-ray diffraction | A, B | — | — |
| 1KVM | X-ray crystal structure of ampc wt beta-lactamase in complex with covalently bound cephalothin | x-ray diffraction | A, B | — | — |
| 1L0D | X-ray Crystal Structure of AmpC S64D Mutant beta-Lactamase | x-ray diffraction | A, B | — | — |
| 1L0D | X-ray crystal structure of ampc S64D mutant beta-lactamase | x-ray diffraction | A, B | — | — |
| 1L0E | X-ray Crystal Structure of AmpC K67Q Mutant beta-Lactamase | x-ray diffraction | A, B | — | — |
| 1L0E | X-ray crystal structure of ampc K67Q mutant beta-lactamase | x-ray diffraction | A, B | — | — |
| 1L0F | X-ray Crystal Structure of AmpC N152H Mutant beta-Lactamase | x-ray diffraction | A, B | — | — |
| 1L0F | X-ray crystal structure of ampc N152H mutant beta-lactamase | x-ray diffraction | A, B | — | — |
| 1L0G | X-ray Crystal Structure of AmpC S64G Mutant beta-Lactamase | x-ray diffraction | A, B | — | — |
| 1L0G | X-ray crystal structure of ampc S64G mutant beta-lactamase | x-ray diffraction | A, B | — | — |
| 1LL5 | X-ray crystal structure of AmpC WT beta-lactamase in complex with covalently bound imipenem | x-ray diffraction | A, B | — | — |
| 1LL5 | X-ray crystal structure of ampc wt beta-lactamase in complex with covalently bound imipenem | x-ray diffraction | A, B | — | — |
| 1LL9 | Crystal Structure Of AmpC beta-Lactamase From E. Coli In Complex With Amoxicillin | x-ray diffraction | A, B | — | — |
| 1LL9 | Crystal structure of ampc beta-lactamase from E. COLI in complex with amoxicillin | x-ray diffraction | A, B | — | — |
| 1LLB | Crystal Structure Of AmpC beta-Lactamase From E. Coli In Complex With ATMO-penicillin | x-ray diffraction | A, B | — | — |
| 1LLB | Crystal structure of ampc beta-lactamase from E. COLI in complex with atmo-penicillin | x-ray diffraction | A, B | — | — |
| 1MXO | AmpC beta-lactamase in complex with an m.carboxyphenylglycylboronic acid bearing the cephalothin R1… | x-ray diffraction | A, B | — | — |
| 1MXO | Ampc beta-lactamase in complex with an M.CARBOXYPHENYLGLYCYLBORONIC acid bearing the cephalothin R1… | x-ray diffraction | A, B | — | — |
| 1MY8 | AmpC beta-lactamase in complex with an M.carboxyphenylglycylboronic acid bearing the cephalothin R1… | x-ray diffraction | A, B | — | — |
| 1MY8 | Ampc beta-lactamase in complex with an M.CARBOXYPHENYLGLYCYLBORONIC acid bearing the cephalothin R1… | x-ray diffraction | A, B | — | — |
| 1O07 | Crystal Structure of the complex between Q120L/Y150E mutant of AmpC and a beta-lactam inhibitor… | x-ray diffraction | A, B | — | — |
| 1O07 | Crystal structure of the complex between Q120L/Y150E mutant of ampc and a beta-lactam inhibitor… | x-ray diffraction | A, B | — | — |
| 1PI4 | Structure of N289A mutant of AmpC in complex with SM3, a phenylglyclboronic acid bearing the… | x-ray diffraction | A, B | — | — |
| 1PI4 | Structure of N289A mutant of ampc in complex with SM3, a phenylglyclboronic acid bearing the… | x-ray diffraction | A, B | — | — |
| 1PI5 | Structure of N289A mutant of AmpC in complex with SM2, carboxyphenylglycylboronic acid bearing the… | x-ray diffraction | A, B | — | — |
| 1PI5 | Structure of N289A mutant of ampc in complex with SM2, carboxyphenylglycylboronic acid bearing the… | x-ray diffraction | A, B | — | — |
| 1XGI | AmpC beta-lactamase in complex with 3-(3-nitro-phenylsulfamoyl)-thiophene-2-carboxylic acid | x-ray diffraction | A, B | — | — |
| 1XGI | Ampc beta-lactamase in complex with 3-(3-nitro- phenylsulfamoyl)-thiophene-2-carboxylic acid | x-ray diffraction | A, B | — | — |
152 records more on the page itself.
Ligands
- CL · Chloride ion · in 9 records
- ZN · Zinc ion · in 8 records
- SO4 · Sulfate ion · in 4 records
- H7A · 4-{[(4R)-6-fluoro-3,4-dihydro-2H-1-benzopyran-4-yl]sulfamoyl}-2,5-dimethylfuran-3-carboxylic acid · in 2 records
- H7D · (1R,2S)-2-{[(pyrrolidin-1-yl) sulfonyl]amino}cyclooctane-1-carboxylic acid · in 2 records
- H7G · (3-{[(3-chloro-2-hydroxyphenyl)sulfonyl]amino}phenyl) acetic acid · in 2 records
- NA · Sodium ion · in 2 records
- A1AUZ · N-[(3M)-3-(5-chloro-1,2,3-thiadiazol-4-yl)phenyl]-5-methyl-3-oxo-2,3-dihydro-1,2-oxazole-4-sulfonamide · in 1 record
- H7M · 3-chloro-2-hydroxy-N-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]phenyl}benzene-1-sulfonamide · in 1 record
- K9K · (10AR)-2-(((1R,4R)-4-((2-aminoethyl)amino)cyclohexyl) methyl)-6-carboxy-4-hydroxy-4,10A-dihydro-10H-benzo[5, 6][1,2]oxaborinino[2,3-b][1,4,2]oxazaborol-4-uide · in 1 record
- KJK · (3~{R})-3-[2-[4-(2-azanylethylamino) cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid · in 1 record
- KL8 · (3~{S})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic acid · in 1 record
- M9W · Enmetazobactam derived trans-enamine adduct. · in 1 record
- MK7 · (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy) amino]piperidine-2-carboxamide · in 1 record
- OK3 · (4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid · in 1 record
- OP0 · (2S,5R)-N-(2-aminoethoxy)-1-formyl-5-[(sulfooxy) amino]piperidine-2-carboxamide · in 1 record
Experiment against prediction
- 4KZA chain A against the predicted model 1L2S: TM-score 0.99, RMSD 0.14 Å
- 4KZA chain A against the predicted model 1L2S: TM-score 0.99, RMSD 0.14 Å
- 4KZA chain A against the predicted model 1L2S: TM-score 0.99, RMSD 0.14 Å
- 1XGI chain B against the predicted model 1L2S: TM-score 1.00, RMSD 0.14 Å
- 1XGI chain B against the predicted model 1L2S: TM-score 1.00, RMSD 0.14 Å
- 1XGI chain B against the predicted model 1L2S: TM-score 1.00, RMSD 0.14 Å
- 4E3O chain B against the predicted model 1L2S: TM-score 1.00, RMSD 0.14 Å
- 4E3O chain B against the predicted model 1L2S: TM-score 1.00, RMSD 0.14 Å
- 4E3O chain B against the predicted model 1L2S: TM-score 1.00, RMSD 0.14 Å
- 4KZA chain B against the predicted model 1L2S: TM-score 1.00, RMSD 0.15 Å
Elsewhere
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